SCHEMBL7850065

SCHEMBL7850065

CNC(=O)C(=O)C(CC1CCC1)NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)Oc1ccc([N+](=O)[O-])cc1)C(C)(C)C)C2(C)C

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSV O60911 1/20 0.56
▸ CTSL P07711 1/20 0.56
▸ CTSB P07858 1/20 0.56
▸ ELANE P08246 1/20 0.56
▸ CMA1 P23946 1/20 0.56
▸ CTSS P25774 1/20 0.56
▸ CTSK P43235 1/20 0.56
▸ CTSF Q9UBX1 1/20 0.56
▸ F13A1 P00488 1/20 0.43
▸ TGM2 P21980 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16297655 0.94 CTSV (0.55) CTSVCTSLCTSBELANECMA1
SCHEMBL17613748 0.94 CTSV (0.55) CTSVCTSLCTSBELANECMA1
SCHEMBL13225259 0.89 CTSV (0.48) CTSVCTSLCTSBELANECMA1
SCHEMBL16315647 0.86 CTSV (0.47) CTSVCTSLCTSBELANECMA1
SCHEMBL14597928 0.84 CTSV (0.65) CTSVCTSLCTSBELANECMA1
SCHEMBL7850018 0.84 CTSV (0.65) CTSVCTSLCTSBELANECMA1
SCHEMBL14597930 0.82 CTSV (0.74) CTSVCTSLCTSBELANECMA1
SCHEMBL7850041 0.82 CTSV (0.74) CTSVCTSLCTSBELANECMA1
SCHEMBL12142687 0.81 F13A1 (0.41) F13A1TGM2
SCHEMBL14583933 0.81 F13A1 (0.41) F13A1TGM2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119602-B2 Administration of HCV protease inhibitors in combination with food to improve bioavailability SCHERING CORPORATION (US) 2012-02-21 — — US disclosed
US-7772178-B2 Pharmaceutical formulations and methods of treatment using the same SCHERING CORPORATION (US) 2010-08-10 — — US disclosed
US-7759499-B2 Compounds as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION (US) 2010-07-20 — — US disclosed
US-7718691-B2 Compounds as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION (US) 2010-05-18 — — US disclosed
US-7635694-B2 For treating hepatitis C and related disorders such as HIV, AIDS (Acquired Immune Deficiency Syndrome) SCHERING CORPORATION (US) 2009-12-22 — — US disclosed
US-7619094-B2 Ketoamides with cyclic P4's as inhibitors of NS3 serine protease of hepatitis C virus SCHERING CORPORATION (US) 2009-11-17 — — US disclosed
US-7425576-B2 Compounds as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION (US) 2008-09-16 — — US disclosed
US-7423058-B2 Inhibitors of hepatitis C virus NS3 protease SCHERING CORPORATION (US) 2008-09-09 — — US disclosed
US-20070237818-A1 Controlled-release formulation of HCV protease inhibitor and methods using the same SCHERING CORPORATION 2007-10-11 — — US disclosed
US-20070232527-A1 Medicaments and methods combining a HCV protease inhibitor and an AKR competitor SCHERING CORPORATION 2007-10-04 — — US disclosed
US-7205330-B2 Inhibitors of hepatitis C virus NS3 protease SCHERING CORPORATION (US) 2007-04-17 — — US disclosed
US-7192957-B2 Compounds as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION (US) 2007-03-20 — — US disclosed
US-7186747-B2 Compounds as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION (US) 2007-03-06 — — US disclosed
US-20070049536-A1 Novel compounds as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION 2007-03-01 — — US disclosed
US-20070042968-A1 Sulfur compounds as inhibitors of Hepatitis C virus NS3 serine protease SCHERING CORPORATION 2007-02-22 — — US disclosed
US-20070032434-A1 used for the treatment or prevention of HCV or amelioration the symptoms of hepatitis C infection, by modulating the interaction of an HCV polypeptide with HCV proteases SCHERING CORPORATION 2007-02-08 — — US disclosed
US-7173057-B2 Ketoamides with cyclic P4'S as inhibitors of NS3 protease of hepatitis C virus SCHERING CORPORATION (US) 2007-02-06 — — US disclosed
US-20070021351-A1 Liver/plasma concentration ratio for dosing hepatitis C virus protease inhibitor SCHERING CORPORATION 2007-01-25 — — US disclosed
US-20070010431-A1 Pharmaceutical formulations and methods of treatment using the same SCHERING CORPORATION 2007-01-11 — — US disclosed
US-20070004635-A1 Method of treating interferon non-responders using HCV protease inhibitor SCHERING CORPORATION 2007-01-04 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070004635-A1 Method of treating interferon non-responders using HCV protease inhibitor IFNAR1, IFNG, IRF3 CTSV 32/4885CTSL 65/4885CTSB 193/4885
US-20070049536-A1 Novel compounds as inhibitors of hepatitis C virus NS3 serine protease SERPINB1, HAVCR2, HPN CTSV 35/4885CTSL 79/4885CTSB 90/4885
US-20070232527-A1 Medicaments and methods combining a HCV protease inhibitor and an AKR competitor CTSV, AKR1B1, AKR1A1 CTSV 1/4885CTSL 12/4885CTSB 14/4885
US-20070032434-A1 used for the treatment or prevention of HCV or amelioration the symptoms of hepatitis C infection, by modulating the interaction of an HCV polypeptide with HCV proteases HAVCR2, ENPEP, SERPINB1 CTSV 43/4885CTSL 54/4885CTSB 84/4885
US-20070021351-A1 Liver/plasma concentration ratio for dosing hepatitis C virus protease inhibitor PYGL, SERPINB1, PREP CTSV 33/4885CTSL 109/4885CTSB 199/4885
US-20070010431-A1 Pharmaceutical formulations and methods of treatment using the same LPXN, SLC5A11, F12 CTSV 1420/4885CTSL 3343/4885CTSB 3661/4885
US-20070042968-A1 Sulfur compounds as inhibitors of Hepatitis C virus NS3 serine protease PRSS1, PRSS3, HPN CTSV 126/4885CTSL 486/4885CTSB 344/4885
US-20070237818-A1 Controlled-release formulation of HCV protease inhibitor and methods using the same CTRL, PEPD, PRCP CTSV 10/4885CTSL 106/4885CTSB 55/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback